2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine

C16H23N5 — CID 79870597

IUPAC2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1nnnn1-c1ccccc1
InChIInChI=1S/C16H23N5/c1-16(2)11-7-6-10-14(16)17-12-15-18-19-20-21(15)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3
InChIKeyWZOONQJYUVLBFX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds4

About 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine

2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 79870597) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID79870597
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1nnnn1-c1ccccc1
InChIInChI=1S/C16H23N5/c1-16(2)11-7-6-10-14(16)17-12-15-18-19-20-21(15)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3
InChIKeyWZOONQJYUVLBFX-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 79870597) is 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine is CC1(C)CCCCC1NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is WZOONQJYUVLBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2)11-7-6-10-14(16)17-12-15-18-19-20-21(15)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79870597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).